SCHEMBL10301549

SCHEMBL10301549

O=c1c(OCc2ccccc2)cccn1CCCNCCCn1cccc(OCc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.46
HTR1A P08908 8/20 0.46
ADRA1D P25100 8/20 0.46
ADRA1A P35348 8/20 0.46
ADRA1B P35368 8/20 0.46
GRM2 Q14416 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3072834 0.86 MAPK14 (0.51) MAPK14HTR1AGRM2TDP1
SCHEMBL20382949 0.85 MAPK14 (0.50) MAPK14GRM2TDP1
SCHEMBL3072830 0.85 MAPK14 (0.49) MAPK14HTR1AGRM2TDP1
SCHEMBL20382950 0.85 MAPK14 (0.47) MAPK14HTR1AGRM2TDP1
SCHEMBL3074370 0.85 MAPK14 (0.47) MAPK14ADRA1DADRA1AADRA1BGRM2
SCHEMBL20386674 0.82 MAPK14 (0.47) MAPK14HTR1AGRM2TDP1
SCHEMBL20382942 0.82 MAPK14 (0.52) MAPK14GRM2TDP1
SCHEMBL20386735 0.81 DRD2 (0.48)
SCHEMBL271730 0.80 MAPK14 (0.68) MAPK14KDM4ETDP1
SCHEMBL14323377 0.80 MAPK14 (0.42) MAPK14GRM2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156772-B2 Fluoride-releasing compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-13 US disclosed
US-20140088308-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-03-27 US disclosed
US-20120264939-A1 Fluoride-Releasing Compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-18 US disclosed
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 US disclosed
WO-2008100907-A2 FLUORIDE-RELEASING COMPOSITIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND ARGRICULTURAL AND MECHANICAL COLLEGE (US) 2008-08-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140088308-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MAPK14 4335/4885HTR1A 1788/4885ADRA1D 4444/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MAPK14 4335/4885HTR1A 1788/4885ADRA1D 4444/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD MAPK14 4335/4885HTR1A 1788/4885ADRA1D 4444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.